[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid

C18H19N3O5 — CID 67778918

IUPAC[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid
SMILESCCOc1ccc2nc(-c3ccc(OC[C@H](C)NC(=O)O)cn3)oc2c1
InChIInChI=1S/C18H19N3O5/c1-3-24-12-4-6-14-16(8-12)26-17(21-14)15-7-5-13(9-19-15)25-10-11(2)20-18(22)23/h4-9,11,20H,3,10H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyDBQWONBRGBSRQF-NSHDSACASA-N
MW357.37 g/mol
LogP3.32
Rot. Bonds7

About [(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid

[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid (PubChem CID 67778918) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is [(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid
PubChem CID67778918
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid
SMILESCCOc1ccc2nc(-c3ccc(OC[C@H](C)NC(=O)O)cn3)oc2c1
InChIInChI=1S/C18H19N3O5/c1-3-24-12-4-6-14-16(8-12)26-17(21-14)15-7-5-13(9-19-15)25-10-11(2)20-18(22)23/h4-9,11,20H,3,10H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyDBQWONBRGBSRQF-NSHDSACASA-N
XLogP3.32
TPSA106.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid (CID 67778918) is [(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid is CCOc1ccc2nc(-c3ccc(OC[C@H](C)NC(=O)O)cn3)oc2c1.
What is the InChIKey of [(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid?
The InChIKey is DBQWONBRGBSRQF-NSHDSACASA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-24-12-4-6-14-16(8-12)26-17(21-14)15-7-5-13(9-19-15)25-10-11(2)20-18(22)23/h4-9,11,20H,3,10H2,1-2H3,(H,22,23)/t11-/m0/s1.
What are the key properties of [(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid?
[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid has a molecular weight of 357.37 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid is sourced from PubChem (CID 67778918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).